Molecular Dynamics (State-to-State) on MD22 Stachyose (test)
2,125MSE (x10^-2)ATOM
Evaluation Results
| Method | Links | |
|---|---|---|
| ATOMMode=S2S2025.10 | 2,125 | |
| ATOM-GATv2Mode=S2S2025.10 | 4,140 | |
| EGNOMode=S2S2025.10 | 4,211 |
Loading the SOTA2 catalog…
| Method | Links | |
|---|---|---|
| ATOMMode=S2S2025.10 | 2,125 | |
| ATOM-GATv2Mode=S2S2025.10 | 4,140 | |
| EGNOMode=S2S2025.10 | 4,211 |